Add biotite-tools#607
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Pull request overview
This PR adds a new biotite-tools container image intended to bundle Biotite and a small set of Python packages for protein structure analysis workflows.
Changes:
- Introduces
biotite-tools/1.4.0/Dockerfilebased onbiocontainers/biocontainers:v1.0.0_cv4. - Installs Biotite 1.4.0 and several related Python packages via
condafromconda-forge. - Adds standard BioContainers-style metadata labels for the image.
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| RUN conda install -c conda-forge \ | ||
| "biotite==1.4.0" \ | ||
| "biopython>=1.85" \ | ||
| "biopandas>=0.5.1" \ | ||
| "scipy>=1.16.2" \ | ||
| "fastcluster>=1.3.0" \ | ||
| "einops>=0.8.1" \ | ||
| && conda clean -a -y |
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Add
biotite-toolscontainer that packages biotite and related packages for analyzing protein structures:This container can be used for example for analyzing protein structure interfaces evaluating de novo designed structures.
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